SCHEMBL1387465

SCHEMBL1387465

[O]CCC(=O)N(CCO)CCO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1232870 0.86 ALDH1A1 (0.41) ALDH1A1HPGDPOLBCA12CA1
SCHEMBL1387466 0.83 ALDH1A1 (0.39) ALDH1A1HPGDPOLBCA12CA1
SCHEMBL29407499 0.81 LMNA (0.52) ALDH1A1HPGDPOLBCA12CA1
SCHEMBL132324 0.81 LMNA (0.46) ALDH1A1HPGDPOLBCA12CA1
SCHEMBL5355206 0.79 LMNA (0.44) ALDH1A1HPGDPOLBCA12CA1
SCHEMBL21217233 0.79 LMNA (0.44) ALDH1A1HPGDPOLBCA12CA1
SCHEMBL4648086 0.79 LMNA (0.44) ALDH1A1HPGDPOLBCA12CA1
SCHEMBL3134108 0.79 LMNA (0.44) ALDH1A1HPGDPOLBCA12CA1
SCHEMBL1202392 0.79 LMNA (0.44) ALDH1A1HPGDPOLBCA12CA1
SCHEMBL9647345 0.78 LMNA (0.39) ALDH1A1HPGDPOLBCA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US claimed
JP-H09506363-A 1997-06-24 JP claimed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP claimed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO claimed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed